propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate

C16H16ClNO4S — CID 43056299

IUPACpropan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate
SMILESCC(C)OC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO4S/c1-11(2)22-16(19)12-4-3-5-15(10-12)23(20,21)18-14-8-6-13(17)7-9-14/h3-11,18H,1-2H3
InChIKeyPEVJNHUQMHRJFV-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.71
Rot. Bonds5

About propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate

propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate (PubChem CID 43056299) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate
PubChem CID43056299
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Namepropan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate
SMILESCC(C)OC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO4S/c1-11(2)22-16(19)12-4-3-5-15(10-12)23(20,21)18-14-8-6-13(17)7-9-14/h3-11,18H,1-2H3
InChIKeyPEVJNHUQMHRJFV-UHFFFAOYSA-N
XLogP3.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-methoxy-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 8644524
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299728
3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971
propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 35468470
N-(4-bromophenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 1087366
[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 2569123
3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062198
(4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 43039119
methyl 3-[(4-aminophenyl)sulfamoyl]benzoate
CID 21060733
[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 43004259
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 3-[(3-chlorophenyl)sulfamoyl]benzoate
CID 24587838

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate?
The IUPAC name of propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate (CID 43056299) is propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate.
What is the SMILES notation for propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate?
The canonical SMILES for propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate is CC(C)OC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate?
The InChIKey is PEVJNHUQMHRJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-11(2)22-16(19)12-4-3-5-15(10-12)23(20,21)18-14-8-6-13(17)7-9-14/h3-11,18H,1-2H3.
What are the key properties of propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate?
propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate has a molecular weight of 353.83 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 43056299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).